81811
  -OEChem-10091912223D

 24 23  0     0  0  0  0  0  0999 V2000
   -5.3236    1.2064    0.0127 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9451   -1.2820   -1.6109 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8940   -1.2347    1.6639 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7604   -0.0797    0.0070 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.5143   -0.0581   -0.0140 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9348    1.7530    0.0084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8813   -0.0303   -0.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1358    0.8456   -0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3892    0.8098   -0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    0.5460    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8143   -0.4846    0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4657   -1.9414   -0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0829   -0.0500    0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667   -0.6842   -0.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -0.7050    0.8275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1249    1.4915   -0.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1014    1.5125    0.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4101    1.4406    0.8746 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4274    1.4491   -0.9118 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8724   -2.2006    0.8799 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8895   -2.1927   -0.8996 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3586   -2.5759    0.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9113   -0.7517    0.0249 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3412    1.0037    0.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
81811

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
48
64
82
56
68
38
36
89
13
54
12
96
8
88
27
14
90
30
77
53
66
51
23
19
99
25
26
45
92
18
81
79
44
73
52
15
43
105
69
72
101
17
55
24
65
95
28
40
5
70
22
20
21
33
63
29
4
16
58
87
6
10
46
76
86
85
98
41
9
3
74
42
50
34
39
7
11
57
49
97
83
32
67
2
84
35
103
100
37
104
78
102
94
80
71
75
31
62
93
59
91
61
60
47

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
14
1 -0.37
10 0.71
11 -0.12
12 0.14
13 -0.3
2 -0.37
23 0.15
24 0.15
3 -0.37
4 1.19
5 -0.43
6 -0.57
8 -0.08
9 0.28

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
6

> <PUBCHEM_PHARMACOPHORE_FEATURES>
1
1 6 acceptor

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_CONFORMER_ID>
00013F9300000001

> <PUBCHEM_MMFF94_ENERGY>
13.0331

> <PUBCHEM_FEATURE_SELFOVERLAP>
5.074

> <PUBCHEM_SHAPE_FINGERPRINT>
10680689 15 18342740728189415645
10912923 1 17489871574008889272
11987891 38 18408325471056494594
12596602 18 16773508958035120930
13167823 11 18272647961156160015
13533116 47 15195010375944936783
14123238 8 10735873976187989361
14252887 29 17989212508501204510
15242439 84 18186801370440723801
17834072 33 18343581871611682700
17834074 16 18333454239606019307
17834076 25 15647055949915362321
18186145 218 17168140165497012737
19489759 90 14907899349816736427
1986462 14 16950565501957915747
200 152 18272366477805532489
20281475 54 18272645792302910591
20432913 95 18343867714264262723
20645477 56 16443055085551984327
20645477 70 18412823555924998622
22485316 2 18273210898166410037
22646028 1 18272083902868885695
2306618 200 17418379082657884289
23402539 116 18342170068447957797
23402655 69 18412261718388952436
23557571 272 17895189961505298533
23559900 14 18260267481707688736
23596394 208 17096075888331983282
26918003 58 18335422356935064953
300161 21 18131061628138121741
3268164 11 14707202245361614743
42 15 18408043996084987156
4214541 1 18412262814043625093
542803 24 13262680318192145389
573450 72 17561079203131242599
58051976 100 18343017796355477781
633830 44 18113615703258169833
77779 3 18335423473747926425

> <PUBCHEM_SHAPE_MULTIPOLES>
279.62
12.57
1.61
1.09
4.59
0.26
-0.03
0.92
-0.08
0.01
0.01
-1.72
0.55
-0.01

> <PUBCHEM_SHAPE_SELFOVERLAP>
493.416

> <PUBCHEM_SHAPE_VOLUME>
185.1

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$